Nombre: 3,4-diacetoxy-1-butene
SMILES:
C=CC(COC(C)=O)OC(C)=OMolecular Processing
Molecular formula
C8H12O4
Molecular weight
172.18
Exact mass
172.0736
XLogP
0.67
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
42.38
Supplementary Information
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